N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

C13H15N3O3S — CID 106373792

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc3c(c2)CNC3)o1
InChIInChI=1S/C13H15N3O3S/c1-9-5-15-13(19-9)8-16-20(17,18)12-3-2-10-6-14-7-11(10)4-12/h2-5,14,16H,6-8H2,1H3
InChIKeyPVLKCNQEALMJLS-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.06
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 106373792) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID106373792
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc3c(c2)CNC3)o1
InChIInChI=1S/C13H15N3O3S/c1-9-5-15-13(19-9)8-16-20(17,18)12-3-2-10-6-14-7-11(10)4-12/h2-5,14,16H,6-8H2,1H3
InChIKeyPVLKCNQEALMJLS-UHFFFAOYSA-N
XLogP1.06
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide with MolForge

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Related Compounds

4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378168
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
2-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 104654766
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 106373792) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc3c(c2)CNC3)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is PVLKCNQEALMJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-5-15-13(19-9)8-16-20(17,18)12-3-2-10-6-14-7-11(10)4-12/h2-5,14,16H,6-8H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 106373792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).